Nascent versus 'Steady-State' Rovibrational Distributions in the Products of the O(~3P) + O_3((X-tilde)~1A) Reaction

P. J. S. B. Caridade; J. L. Llanio-Trujillo; A. J. C. Varandas

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Nascent versus 'Steady-State' Rovibrational Distributions in the Products of the O(~3P) + O_3((X-tilde)~1A) Reaction

机译：O（〜3P）+ O_3（（X-tilde）〜1A）反应产物中新生态与“稳态”振动的分布

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We report a trajectory simulation study of the O_2(v',j') + O_2(v",j") collisional process at a translational temperature of 1500 K with a view to compare the initial and final rovibrational distributions of the colliding species. As initial rotational and vibrational micropopulations we assume those calculated for the products of the forward title reaction. Rotational relaxation is found to occur to a larger extent than vibrational relaxation, a result that is in general agreement with experimental measurements for small and moderate delay times after the reaction O + O_3 → O_2(v',j') + O_2(v",j") has occurred. Rather than a single rotational temperature reported from the experiments, the simulations predict two disparate rotational temperatures close to those characterizing the nascent micropopulation. An increase in temperature due to vibrational-translational and rotational-translational relaxation processes is also predicted.

机译：我们报告了在1500 K的平移温度下O_2（v'，j'）+ O_2（v“，j”）碰撞过程的轨迹模拟研究，目的是比较碰撞物种的初始和最终旋转振动分布。作为初始的旋转和振动微种群，我们假设为正向标题反应产物计算的那些。发现旋转弛豫比振动弛豫更大，这一结果与反应后O + O_3→O_2（v'，j'）+ O_2（v“ ，j“）已发生。该模拟并未预测实验报告的单个旋转温度，而是预测了两个不同的旋转温度，它们接近表征新生的微种群的温度。还预计由于振动-平移和旋转-平移松弛过程而引起的温度升高。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2003年第50期|共7页
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P. J. S. B. Caridade; J. L. Llanio-Trujillo; A. J. C. Varandas;
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中图分类物理化学（理论化学）、化学物理学;
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1. Nascent versus "Steady-State" Rovibrational Distributions in the Products of the O(~3P) + O_3((X-tilde)~1A) Reaction [J] . P. J. S. B. Caridade, J. L. Llanio-Trujillo, A. J. C. Varandas The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2003,第50期

机译：O（〜3P）+ O_3（（X-tilde）〜1A）反应产物中新生态与“稳态”振动的分布
2. Analysis of nascent rotational energy distributions and reaction mechanisms of the gas-phase radical-radical reaction O(~3P)+(CH _3) _2CH→C _3H _6+OH [J] . Park M.-J., Kang K.-W., Choi J.-H. Chemphyschem: A European journal of chemical physics and physical chemistry . 2012,第5期

机译：气相自由基反应的新旋转能量分布和反应机制的分析O（〜3P）+（CH _3）_2CH→C _3H _6 + OH
3. Vibrational Distributions of the CO(nu) Products of the C_2H_2 + O(~3P) and HCCO + O(~3P) Reactions Studied by FTIR Emission [J] . Viktor Chikan, Stephen.R.Leone The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2005,第11期

机译：FTIR发射研究C_2H_2 + O（〜3P）和HCCO + O（〜3P）反应的CO（nu）产物的振动分布
4. CO(vJ) product state distributions from the reaction O(3P) + OCS --> CO + SO [C] . Scott L. Nickolaisen, Univ. of Southern California, Pasadena, Optical Methods for Time- and State-Resolved Chemistry . 1992

机译：O（3P）+ OCS-> CO + SO反应产生的CO（vJ）产物状态分布
5. Determination of nascent hydrogen rovibrational distributions by laser-induced fluorescence: Applications to formaldehyde photodissociation and hydrogen exchange reactions. [D] . Parker, Garth Rockwood, Jr. 1988

机译：通过激光诱导的荧光测定新生氢的振动分布：在甲醛光解和氢交换反应中的应用。
6. Measurement of steady-state kinetic parameters for DNA unwinding by the bacteriophage T4 Dda helicase: use of peptide nucleic acids to trap single-stranded DNA products of helicase reactions [O] . Bindu Nanduri, Robert L. Eoff, Alan J. Tackett, 2001

机译：稳态动力学的测量用噬菌体T4 Dda解旋酶解开DNA的参数：肽核酸捕获单链DNA产物解旋酶反应
7. Nascent versus “Steady-State” Rovibrational Distributions in the Products of the O(3P) + O3(1A) Reaction [O] . Caridade P. J. S. B., Llanio-Trujillo J. L., Varandas A. J. C. 2003

机译：O（3P）+ O3（1A）反应产物中的新生态与“稳态”旋转振动分布
8. Nascent Product Vibrational State Distributions of Ion-Molecule Reactions: The Proton Transfer Reactions F(-)+HX Yields HF(v)+X(-), X=Cl, Br, and I [R] . Weisshaar, J. C., Zwier, T. S., Leone, S. R. 1981

机译：新生产物离子 - 分子反应的振动态分布：质子转移反应F（ - ）+ HX产生HF（v）+ X（ - ），X = Cl，Br和I

Nascent versus 'Steady-State' Rovibrational Distributions in the Products of the O(~3P) + O_3((X-tilde)~1A) Reaction

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